2-[6-chloranyl-3-[(1-methylsulfonyl-4-pyridin-2-yl-pyrrolidin-3-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-[(1-methylsulfonyl-4-pyridin-2-yl-pyrrolidin-3-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-[[1-methylsulfonyl-4-(2-pyridyl)pyrrolidin-3-yl]amino]-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[6-chloro-3-[[1-methylsulfonyl-4-(2-pyridinyl)-3-pyrrolidinyl]amino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[6-chloro-3-[(1-methylsulfonyl-4-pyridin-2-ylpyrrolidin-3-yl)amino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[6-chloro-2-keto-3-[[1-mesyl-4-(2-pyridyl)pyrrolidin-3-yl]amino]pyrazin-1-yl]acetic acid Formula: C16H18ClN5O5S MolecularWeight: 427.86262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C(C1)NC2=NC=C(N(C2=O)CC(=O)O)Cl)C3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)N1CC(C(C1)NC2=NC=C(N(C2=O)CC(=O)O)Cl)C3=CC=CC=N3

InChI

InChI=1S/C16H18ClN5O5S/c1-28(26,27)21-7-10(11-4-2-3-5-18-11)12(8-21)20-15-16(25)22(9-14(23)24)13(17)6-19-15/h2-6,10,12H,7-9H2,1H3,(H,19,20)(H,23,24)